General Information of the Compound
| Compound ID |
CP0490692
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(((1R,5S)-6-(phenoxymethyl)-3-aza-bicyclo[3.1.0]hexan-3-yl)methyl)-7,8-dihydro-6H-imidazo[4,5,1-ij]quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25N3O
|
||||||||||||||||||
| Molecular Weight |
359.473
|
||||||||||||||||||
| Canonical SMILES |
C(Oc1ccccc1)C1[C@@H]2CN(Cc3nc4cccc5CCCn3c45)C[C@H]12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25N3O/c1-2-8-17(9-3-1)27-15-20-18-12-25(13-19(18)20)14-22-24-21-10-4-6-16-7-5-11-26(22)23(16)21/h1-4,6,8-10,18-20H,5,7,11-15H2/t18-,19+,20?
Show/Hide
|
||||||||||||||||||
| InChIKey |
YNRYFNKQPSKVQR-YOFSQIOKSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound